CID 71143857

2-(4-fluorothiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C10H14BFO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CS2)F
InChI
InChI=1S/C10H14BFO2S/c1-9(2)10(3,4)14-11(13-9)8-5-7(12)6-15-8/h5-6H,1-4H3
InChIKey
INVROCLCFMUAQV-UHFFFAOYSA-N
Compound name
2-(4-fluorothiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

228.07916 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08644 140.5
[M+Na]+ 251.06838 151.6
[M-H]- 227.07188 148.6
[M+NH4]+ 246.11298 165.0
[M+K]+ 267.04232 151.8
[M+H-H2O]+ 211.07642 137.8
[M+HCOO]- 273.07736 157.6
[M+CH3COO]- 287.09301 186.7
[M+Na-2H]- 249.05383 143.3
[M]+ 228.07861 144.9
[M]- 228.07971 144.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe